6KNJ

UTP-bound UGPase from acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 41 21 2
Unit cell lengths	117.376, 117.376, 110.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.960 - 3.200
R-factor	0.2193
Rwork	0.216
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j49
RMSD bond length	0.014
RMSD bond angle	2.154
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.283
High resolution limit [Å]	2.900	3.200
Rmerge		0.459
Rpim	0.050
Number of reflections	32126	13108
<I/σ(I)>	9.4
Completeness [%]	97.4
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	287	1.5M Ammonium citrate, 0.1M BIS-TRIS pH 6.13 and 0.1M NaCl